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	hartrees
Energy at 0K	-1810.891547
Energy at 298.15K	-1810.896542
HF Energy	-1810.891547
Nuclear repulsion energy	805.935441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	762	730	0.00
2	A₁	586	561	0.00
3	A₁	219	210	0.00
4	A₂	796	763	0.00
5	A₂	279	267	0.00
6	B₁	782	749	0.00
7	B₁	357	342	0.00
8	B₂	1004	962	76.36
9	B₂	572	548	62.72
10	B₂	184	176	0.71
11	E	822	787	7.05
11	E	822	787	7.05
12	E	752	720	91.26
12	E	752	720	91.26
13	E	539	516	6.03
13	E	539	516	6.03
14	E	347	332	18.21
14	E	347	332	18.21

Atom	x (Å)	y (Å)	z (Å)
N1	1.290	1.290	0.000
N2	-1.290	1.290	0.000
N3	-1.290	-1.290	0.000
N4	1.290	-1.290	0.000
S5	0.000	1.315	0.977
S6	0.000	-1.315	0.977
S7	1.315	0.000	-0.977
S8	-1.315	0.000	-0.977

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5797	3.6483	2.5797	1.6183	3.0665	1.6183	3.0665
N2	2.5797		2.5797	3.6483	1.6183	3.0665	3.0665	1.6183
N3	3.6483	2.5797		2.5797	3.0665	1.6183	3.0665	1.6183
N4	2.5797	3.6483	2.5797		3.0665	1.6183	1.6183	3.0665
S5	1.6183	1.6183	3.0665	3.0665		2.6300	2.6974	2.6974
S6	3.0665	3.0665	1.6183	1.6183	2.6300		2.6974	2.6974
S7	1.6183	3.0665	3.0665	1.6183	2.6974	2.6974		2.6300
S8	3.0665	1.6183	1.6183	3.0665	2.6974	2.6974	2.6300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	105.700	N1	S7	N4	105.700
N2	S8	N3	105.700	N3	S6	N4	105.700
S5	N1	S7	112.904	S5	N2	S8	112.904
S6	N3	S8	112.904	S6	N4	S7	112.904

All results from a given calculation for S₄N₄ (Tetrasulfur tetranitride)

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	-0.272
2	N	-0.272
3	N	-0.272
4	N	-0.272
5	S	0.272
6	S	0.272
7	S	0.272
8	S	0.272

<r²>	310.161
(<r²>)^1/2	17.611

All results from a given calculation for S4N4 (Tetrasulfur tetranitride)

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for S₄N₄ (Tetrasulfur tetranitride)